HRID694235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID32051

Zinc (II) cation

Zn+2

HCID2782928

1-Ethoxy-2,3-Difluorobenzene

C8H8F2O

结构：CCCC1CCC(C2CCC(CCCCc3ccc(I)c(F)c3F)CC2)CC1

HCID18417904

未命名化合物

HCID178418400

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCCC1CCC(C2CCC(CCCCc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)CC1

HCID12040332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5d7eac1eba449e7b70df0d620193870
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH:12]([Li:13])([CH2:14][CH3:15])[CH3:16].[Cl-:51].[Cl-:53].[F:17][c:18]1[c:19]([I:44])[cH:20][cH:21][c:22]([CH2:25][CH2:26][CH2:27][CH2:28][CH:29]2[CH2:30][CH2:31][CH:32]([CH:35]3[CH2:36][CH2:37][CH:38]([CH2:41][CH2:42][CH3:43])[CH2:39][CH2:40]3)[CH2:33][CH2:34]2)[c:23]1[F:24].[F:1][c:2]1[c:3]([O:9][CH2:10][CH3:11])[cH:4][cH:5][cH:6][c:7]1[F:8].[OH2:45].[Zn+2:52].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[F:1][c:2]1[c:3]([O:9][CH2:10][CH3:11])[cH:4][cH:5][c:6](-[c:19]2[c:18]([F:17])[c:23]([F:24])[c:22]([CH2:25][CH2:26][CH2:27][CH2:28][CH:29]3[CH2:30][CH2:31][CH:32]([CH:35]4[CH2:36][CH2:37][CH:38]([CH2:41][CH2:42][CH3:43])[CH2:39][CH2:40]4)[CH2:33][CH2:34]3)[cH:21][cH:20]2)[c:7]1[F:8]